2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C14H19N5OS — CID 38754590

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-11-9-12(2)19(16-11)10-13(20)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8-9H,4-7,10H2,1-2H3
InChIKeyBHDBEEQEEIZIJT-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.31
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 38754590) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID38754590
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H19N5OS/c1-11-9-12(2)19(16-11)10-13(20)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8-9H,4-7,10H2,1-2H3
InChIKeyBHDBEEQEEIZIJT-UHFFFAOYSA-N
XLogP1.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 38754590) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BHDBEEQEEIZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11-9-12(2)19(16-11)10-13(20)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8-9H,4-7,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 305.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38754590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).